1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea

C16H23N3O4 — CID 7544981

IUPAC1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H23N3O4/c1-22-9-3-8-17-16(21)18-12-10-15(20)19(11-12)13-4-6-14(23-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21)/t12-/m0/s1
InChIKeyRXIRCENCERTNBH-LBPRGKRZSA-N
MW321.38 g/mol
LogP1.14
Rot. Bonds7

About 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea

1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea (PubChem CID 7544981) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea
PubChem CID7544981
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H23N3O4/c1-22-9-3-8-17-16(21)18-12-10-15(20)19(11-12)13-4-6-14(23-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21)/t12-/m0/s1
InChIKeyRXIRCENCERTNBH-LBPRGKRZSA-N
XLogP1.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl]-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545082
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 43969973
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 7215297
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 7215063
1-[2-[benzyl(methyl)amino]ethyl]-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545497
1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513345
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 16801428
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-propan-2-yloxypropyl)urea
CID 7547949
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
CID 43970516

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea (CID 7544981) is 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea is COCCCNC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea?
The InChIKey is RXIRCENCERTNBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-9-3-8-17-16(21)18-12-10-15(20)19(11-12)13-4-6-14(23-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21)/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea?
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea has a molecular weight of 321.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 7544981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).